complex_id stringlengths 6 8 | ligand_pdbqt_path stringlengths 34 38 | target_pdbqt_path stringlengths 34 38 | decoys_pdbqt_path stringlengths 34 38 ⌀ | decoy_scores_csv_path stringlengths 38 42 ⌀ |
|---|---|---|---|---|
4HDL-DXC | data/4H/4HDL-DXC/4HDL-DXC_ligand.pdbqt | data/4H/4HDL-DXC/4HDL-DXC_target.pdbqt | data/4H/4HDL-DXC/4HDL-DXC_decoys.pdbqt | data/4H/4HDL-DXC/4HDL-DXC_decoy_scores.csv |
4HEJ-14D | data/4H/4HEJ-14D/4HEJ-14D_ligand.pdbqt | data/4H/4HEJ-14D/4HEJ-14D_target.pdbqt | data/4H/4HEJ-14D/4HEJ-14D_decoys.pdbqt | data/4H/4HEJ-14D/4HEJ-14D_decoy_scores.csv |
4HMX-FMN | data/4H/4HMX-FMN/4HMX-FMN_ligand.pdbqt | data/4H/4HMX-FMN/4HMX-FMN_target.pdbqt | data/4H/4HMX-FMN/4HMX-FMN_decoys.pdbqt | data/4H/4HMX-FMN/4HMX-FMN_decoy_scores.csv |
4HA5-13W | data/4H/4HA5-13W/4HA5-13W_ligand.pdbqt | data/4H/4HA5-13W/4HA5-13W_target.pdbqt | data/4H/4HA5-13W/4HA5-13W_decoys.pdbqt | data/4H/4HA5-13W/4HA5-13W_decoy_scores.csv |
4HK6-5NU | data/4H/4HK6-5NU/4HK6-5NU_ligand.pdbqt | data/4H/4HK6-5NU/4HK6-5NU_target.pdbqt | data/4H/4HK6-5NU/4HK6-5NU_decoys.pdbqt | data/4H/4HK6-5NU/4HK6-5NU_decoy_scores.csv |
4HF8-PLG | data/4H/4HF8-PLG/4HF8-PLG_ligand.pdbqt | data/4H/4HF8-PLG/4HF8-PLG_target.pdbqt | data/4H/4HF8-PLG/4HF8-PLG_decoys.pdbqt | data/4H/4HF8-PLG/4HF8-PLG_decoy_scores.csv |
4HEQ-FMN | data/4H/4HEQ-FMN/4HEQ-FMN_ligand.pdbqt | data/4H/4HEQ-FMN/4HEQ-FMN_target.pdbqt | data/4H/4HEQ-FMN/4HEQ-FMN_decoys.pdbqt | data/4H/4HEQ-FMN/4HEQ-FMN_decoy_scores.csv |
4HO4-THM | data/4H/4HO4-THM/4HO4-THM_ligand.pdbqt | data/4H/4HO4-THM/4HO4-THM_target.pdbqt | data/4H/4HO4-THM/4HO4-THM_decoys.pdbqt | data/4H/4HO4-THM/4HO4-THM_decoy_scores.csv |
4H0X-ATP | data/4H/4H0X-ATP/4H0X-ATP_ligand.pdbqt | data/4H/4H0X-ATP/4H0X-ATP_target.pdbqt | data/4H/4H0X-ATP/4H0X-ATP_decoys.pdbqt | data/4H/4H0X-ATP/4H0X-ATP_decoy_scores.csv |
4H0T-LAR | data/4H/4H0T-LAR/4H0T-LAR_ligand.pdbqt | data/4H/4H0T-LAR/4H0T-LAR_target.pdbqt | data/4H/4H0T-LAR/4H0T-LAR_decoys.pdbqt | data/4H/4H0T-LAR/4H0T-LAR_decoy_scores.csv |
4HYI-1AO | data/4H/4HYI-1AO/4HYI-1AO_ligand.pdbqt | data/4H/4HYI-1AO/4HYI-1AO_target.pdbqt | data/4H/4HYI-1AO/4HYI-1AO_decoys.pdbqt | data/4H/4HYI-1AO/4HYI-1AO_decoy_scores.csv |
4HNB-FMN | data/4H/4HNB-FMN/4HNB-FMN_ligand.pdbqt | data/4H/4HNB-FMN/4HNB-FMN_target.pdbqt | data/4H/4HNB-FMN/4HNB-FMN_decoys.pdbqt | data/4H/4HNB-FMN/4HNB-FMN_decoy_scores.csv |
4H2M-0YV | data/4H/4H2M-0YV/4H2M-0YV_ligand.pdbqt | data/4H/4H2M-0YV/4H2M-0YV_target.pdbqt | data/4H/4H2M-0YV/4H2M-0YV_decoys.pdbqt | data/4H/4H2M-0YV/4H2M-0YV_decoy_scores.csv |
4H2X-G5A | data/4H/4H2X-G5A/4H2X-G5A_ligand.pdbqt | data/4H/4H2X-G5A/4H2X-G5A_target.pdbqt | data/4H/4H2X-G5A/4H2X-G5A_decoys.pdbqt | data/4H/4H2X-G5A/4H2X-G5A_decoy_scores.csv |
4HJL-15O | data/4H/4HJL-15O/4HJL-15O_ligand.pdbqt | data/4H/4HJL-15O/4HJL-15O_target.pdbqt | data/4H/4HJL-15O/4HJL-15O_decoys.pdbqt | data/4H/4HJL-15O/4HJL-15O_decoy_scores.csv |
4HOF-18H | data/4H/4HOF-18H/4HOF-18H_ligand.pdbqt | data/4H/4HOF-18H/4HOF-18H_target.pdbqt | data/4H/4HOF-18H/4HOF-18H_decoys.pdbqt | data/4H/4HOF-18H/4HOF-18H_decoy_scores.csv |
4HHS-P6G | data/4H/4HHS-P6G/4HHS-P6G_ligand.pdbqt | data/4H/4HHS-P6G/4HHS-P6G_target.pdbqt | data/4H/4HHS-P6G/4HHS-P6G_decoys.pdbqt | data/4H/4HHS-P6G/4HHS-P6G_decoy_scores.csv |
4H1M-0YJ | data/4H/4H1M-0YJ/4H1M-0YJ_ligand.pdbqt | data/4H/4H1M-0YJ/4H1M-0YJ_target.pdbqt | data/4H/4H1M-0YJ/4H1M-0YJ_decoys.pdbqt | data/4H/4H1M-0YJ/4H1M-0YJ_decoy_scores.csv |
4HVD-PHU | data/4H/4HVD-PHU/4HVD-PHU_ligand.pdbqt | data/4H/4HVD-PHU/4HVD-PHU_target.pdbqt | data/4H/4HVD-PHU/4HVD-PHU_decoys.pdbqt | data/4H/4HVD-PHU/4HVD-PHU_decoy_scores.csv |
4H84-Y38 | data/4H/4H84-Y38/4H84-Y38_ligand.pdbqt | data/4H/4H84-Y38/4H84-Y38_target.pdbqt | data/4H/4H84-Y38/4H84-Y38_decoys.pdbqt | data/4H/4H84-Y38/4H84-Y38_decoy_scores.csv |
4H2Q-5HN | data/4H/4H2Q-5HN/4H2Q-5HN_ligand.pdbqt | data/4H/4H2Q-5HN/4H2Q-5HN_target.pdbqt | data/4H/4H2Q-5HN/4H2Q-5HN_decoys.pdbqt | data/4H/4H2Q-5HN/4H2Q-5HN_decoy_scores.csv |
4HBM-0Y7 | data/4H/4HBM-0Y7/4HBM-0Y7_ligand.pdbqt | data/4H/4HBM-0Y7/4HBM-0Y7_target.pdbqt | data/4H/4HBM-0Y7/4HBM-0Y7_decoys.pdbqt | data/4H/4HBM-0Y7/4HBM-0Y7_decoy_scores.csv |
4HYV-FDP | data/4H/4HYV-FDP/4HYV-FDP_ligand.pdbqt | data/4H/4HYV-FDP/4HYV-FDP_target.pdbqt | data/4H/4HYV-FDP/4HYV-FDP_decoys.pdbqt | data/4H/4HYV-FDP/4HYV-FDP_decoy_scores.csv |
4HG9-G3P | data/4H/4HG9-G3P/4HG9-G3P_ligand.pdbqt | data/4H/4HG9-G3P/4HG9-G3P_target.pdbqt | data/4H/4HG9-G3P/4HG9-G3P_decoys.pdbqt | data/4H/4HG9-G3P/4HG9-G3P_decoy_scores.csv |
4HST-GLJ | data/4H/4HST-GLJ/4HST-GLJ_ligand.pdbqt | data/4H/4HST-GLJ/4HST-GLJ_target.pdbqt | data/4H/4HST-GLJ/4HST-GLJ_decoys.pdbqt | data/4H/4HST-GLJ/4HST-GLJ_decoy_scores.csv |
4HY8-HC4 | data/4H/4HY8-HC4/4HY8-HC4_ligand.pdbqt | data/4H/4HY8-HC4/4HY8-HC4_target.pdbqt | data/4H/4HY8-HC4/4HY8-HC4_decoys.pdbqt | data/4H/4HY8-HC4/4HY8-HC4_decoy_scores.csv |
4HIA-FMN | data/4H/4HIA-FMN/4HIA-FMN_ligand.pdbqt | data/4H/4HIA-FMN/4HIA-FMN_target.pdbqt | data/4H/4HIA-FMN/4HIA-FMN_decoys.pdbqt | data/4H/4HIA-FMN/4HIA-FMN_decoy_scores.csv |
4HE2-AMP | data/4H/4HE2-AMP/4HE2-AMP_ligand.pdbqt | data/4H/4HE2-AMP/4HE2-AMP_target.pdbqt | data/4H/4HE2-AMP/4HE2-AMP_decoys.pdbqt | data/4H/4HE2-AMP/4HE2-AMP_decoy_scores.csv |
4HFP-15U | data/4H/4HFP-15U/4HFP-15U_ligand.pdbqt | data/4H/4HFP-15U/4HFP-15U_target.pdbqt | data/4H/4HFP-15U/4HFP-15U_decoys.pdbqt | data/4H/4HFP-15U/4HFP-15U_decoy_scores.csv |
4H6B-10X | data/4H/4H6B-10X/4H6B-10X_ligand.pdbqt | data/4H/4H6B-10X/4H6B-10X_target.pdbqt | data/4H/4H6B-10X/4H6B-10X_decoys.pdbqt | data/4H/4H6B-10X/4H6B-10X_decoy_scores.csv |
4HZ7-BGC | data/4H/4HZ7-BGC/4HZ7-BGC_ligand.pdbqt | data/4H/4HZ7-BGC/4HZ7-BGC_target.pdbqt | data/4H/4HZ7-BGC/4HZ7-BGC_decoys.pdbqt | data/4H/4HZ7-BGC/4HZ7-BGC_decoy_scores.csv |
4HWO-409 | data/4H/4HWO-409/4HWO-409_ligand.pdbqt | data/4H/4HWO-409/4HWO-409_target.pdbqt | data/4H/4HWO-409/4HWO-409_decoys.pdbqt | data/4H/4HWO-409/4HWO-409_decoy_scores.csv |
4HHH-RUB | data/4H/4HHH-RUB/4HHH-RUB_ligand.pdbqt | data/4H/4HHH-RUB/4HHH-RUB_target.pdbqt | data/4H/4HHH-RUB/4HHH-RUB_decoys.pdbqt | data/4H/4HHH-RUB/4HHH-RUB_decoy_scores.csv |
4HLH-20D | data/4H/4HLH-20D/4HLH-20D_ligand.pdbqt | data/4H/4HLH-20D/4HLH-20D_target.pdbqt | data/4H/4HLH-20D/4HLH-20D_decoys.pdbqt | data/4H/4HLH-20D/4HLH-20D_decoy_scores.csv |
4HDR-DMD | data/4H/4HDR-DMD/4HDR-DMD_ligand.pdbqt | data/4H/4HDR-DMD/4HDR-DMD_target.pdbqt | data/4H/4HDR-DMD/4HDR-DMD_decoys.pdbqt | data/4H/4HDR-DMD/4HDR-DMD_decoy_scores.csv |
4H03-LAR | data/4H/4H03-LAR/4H03-LAR_ligand.pdbqt | data/4H/4H03-LAR/4H03-LAR_target.pdbqt | data/4H/4H03-LAR/4H03-LAR_decoys.pdbqt | data/4H/4H03-LAR/4H03-LAR_decoy_scores.csv |
4HL5-15W | data/4H/4HL5-15W/4HL5-15W_ligand.pdbqt | data/4H/4HL5-15W/4HL5-15W_target.pdbqt | data/4H/4HL5-15W/4HL5-15W_decoys.pdbqt | data/4H/4HL5-15W/4HL5-15W_decoy_scores.csv |
4HWS-1B3 | data/4H/4HWS-1B3/4HWS-1B3_ligand.pdbqt | data/4H/4HWS-1B3/4HWS-1B3_target.pdbqt | data/4H/4HWS-1B3/4HWS-1B3_decoys.pdbqt | data/4H/4HWS-1B3/4HWS-1B3_decoy_scores.csv |
4HFI-LMT | data/4H/4HFI-LMT/4HFI-LMT_ligand.pdbqt | data/4H/4HFI-LMT/4HFI-LMT_target.pdbqt | data/4H/4HFI-LMT/4HFI-LMT_decoys.pdbqt | data/4H/4HFI-LMT/4HFI-LMT_decoy_scores.csv |
4H0Y-NAD | data/4H/4H0Y-NAD/4H0Y-NAD_ligand.pdbqt | data/4H/4H0Y-NAD/4H0Y-NAD_target.pdbqt | data/4H/4H0Y-NAD/4H0Y-NAD_decoys.pdbqt | data/4H/4H0Y-NAD/4H0Y-NAD_decoy_scores.csv |
4H5E-YS4 | data/4H/4H5E-YS4/4H5E-YS4_ligand.pdbqt | data/4H/4H5E-YS4/4H5E-YS4_target.pdbqt | data/4H/4H5E-YS4/4H5E-YS4_decoys.pdbqt | data/4H/4H5E-YS4/4H5E-YS4_decoy_scores.csv |
4HKN-LU2 | data/4H/4HKN-LU2/4HKN-LU2_ligand.pdbqt | data/4H/4HKN-LU2/4HKN-LU2_target.pdbqt | data/4H/4HKN-LU2/4HKN-LU2_decoys.pdbqt | data/4H/4HKN-LU2/4HKN-LU2_decoy_scores.csv |
4H31-PE5 | data/4H/4H31-PE5/4H31-PE5_ligand.pdbqt | data/4H/4H31-PE5/4H31-PE5_target.pdbqt | data/4H/4H31-PE5/4H31-PE5_decoys.pdbqt | data/4H/4H31-PE5/4H31-PE5_decoy_scores.csv |
4HN4-BCN | data/4H/4HN4-BCN/4HN4-BCN_ligand.pdbqt | data/4H/4HN4-BCN/4HN4-BCN_target.pdbqt | null | null |
4HNX-G4P | data/4H/4HNX-G4P/4HNX-G4P_ligand.pdbqt | data/4H/4HNX-G4P/4HNX-G4P_target.pdbqt | data/4H/4HNX-G4P/4HNX-G4P_decoys.pdbqt | data/4H/4HNX-G4P/4HNX-G4P_decoy_scores.csv |
4HZE-BEN | data/4H/4HZE-BEN/4HZE-BEN_ligand.pdbqt | data/4H/4HZE-BEN/4HZE-BEN_target.pdbqt | null | null |
4HO4-G1P | data/4H/4HO4-G1P/4HO4-G1P_ligand.pdbqt | data/4H/4HO4-G1P/4HO4-G1P_target.pdbqt | data/4H/4HO4-G1P/4HO4-G1P_decoys.pdbqt | data/4H/4HO4-G1P/4HO4-G1P_decoy_scores.csv |
4HL1-ZZ7 | data/4H/4HL1-ZZ7/4HL1-ZZ7_ligand.pdbqt | data/4H/4HL1-ZZ7/4HL1-ZZ7_target.pdbqt | data/4H/4HL1-ZZ7/4HL1-ZZ7_decoys.pdbqt | data/4H/4HL1-ZZ7/4HL1-ZZ7_decoy_scores.csv |
4HCT-18R | data/4H/4HCT-18R/4HCT-18R_ligand.pdbqt | data/4H/4HCT-18R/4HCT-18R_target.pdbqt | data/4H/4HCT-18R/4HCT-18R_decoys.pdbqt | data/4H/4HCT-18R/4HCT-18R_decoy_scores.csv |
4HRW-AZG | data/4H/4HRW-AZG/4HRW-AZG_ligand.pdbqt | data/4H/4HRW-AZG/4HRW-AZG_target.pdbqt | data/4H/4HRW-AZG/4HRW-AZG_decoys.pdbqt | data/4H/4HRW-AZG/4HRW-AZG_decoy_scores.csv |
4H42-11E | data/4H/4H42-11E/4H42-11E_ligand.pdbqt | data/4H/4H42-11E/4H42-11E_target.pdbqt | data/4H/4H42-11E/4H42-11E_decoys.pdbqt | data/4H/4H42-11E/4H42-11E_decoy_scores.csv |
4H8A-NAI | data/4H/4H8A-NAI/4H8A-NAI_ligand.pdbqt | data/4H/4H8A-NAI/4H8A-NAI_target.pdbqt | data/4H/4H8A-NAI/4H8A-NAI_decoys.pdbqt | data/4H/4H8A-NAI/4H8A-NAI_decoy_scores.csv |
4H3I-10V | data/4H/4H3I-10V/4H3I-10V_ligand.pdbqt | data/4H/4H3I-10V/4H3I-10V_target.pdbqt | data/4H/4H3I-10V/4H3I-10V_decoys.pdbqt | data/4H/4H3I-10V/4H3I-10V_decoy_scores.csv |
4HKM-CXS | data/4H/4HKM-CXS/4HKM-CXS_ligand.pdbqt | data/4H/4HKM-CXS/4HKM-CXS_target.pdbqt | data/4H/4HKM-CXS/4HKM-CXS_decoys.pdbqt | data/4H/4HKM-CXS/4HKM-CXS_decoy_scores.csv |
4H2O-0YW | data/4H/4H2O-0YW/4H2O-0YW_ligand.pdbqt | data/4H/4H2O-0YW/4H2O-0YW_target.pdbqt | data/4H/4H2O-0YW/4H2O-0YW_decoys.pdbqt | data/4H/4H2O-0YW/4H2O-0YW_decoy_scores.csv |
4HJS-18J | data/4H/4HJS-18J/4HJS-18J_ligand.pdbqt | data/4H/4HJS-18J/4HJS-18J_target.pdbqt | data/4H/4HJS-18J/4HJS-18J_decoys.pdbqt | data/4H/4HJS-18J/4HJS-18J_decoy_scores.csv |
4HPT-ANP | data/4H/4HPT-ANP/4HPT-ANP_ligand.pdbqt | data/4H/4HPT-ANP/4HPT-ANP_target.pdbqt | data/4H/4HPT-ANP/4HPT-ANP_decoys.pdbqt | data/4H/4HPT-ANP/4HPT-ANP_decoy_scores.csv |
4H19-0YR | data/4H/4H19-0YR/4H19-0YR_ligand.pdbqt | data/4H/4H19-0YR/4H19-0YR_target.pdbqt | data/4H/4H19-0YR/4H19-0YR_decoys.pdbqt | data/4H/4H19-0YR/4H19-0YR_decoy_scores.csv |
4HMJ-THP | data/4H/4HMJ-THP/4HMJ-THP_ligand.pdbqt | data/4H/4HMJ-THP/4HMJ-THP_target.pdbqt | data/4H/4HMJ-THP/4HMJ-THP_decoys.pdbqt | data/4H/4HMJ-THP/4HMJ-THP_decoy_scores.csv |
4H42-PG6 | data/4H/4H42-PG6/4H42-PG6_ligand.pdbqt | data/4H/4H42-PG6/4H42-PG6_target.pdbqt | data/4H/4H42-PG6/4H42-PG6_decoys.pdbqt | data/4H/4H42-PG6/4H42-PG6_decoy_scores.csv |
4HMT-FMN | data/4H/4HMT-FMN/4HMT-FMN_ligand.pdbqt | data/4H/4HMT-FMN/4HMT-FMN_target.pdbqt | data/4H/4HMT-FMN/4HMT-FMN_decoys.pdbqt | data/4H/4HMT-FMN/4HMT-FMN_decoy_scores.csv |
4H5G-ARG | data/4H/4H5G-ARG/4H5G-ARG_ligand.pdbqt | data/4H/4H5G-ARG/4H5G-ARG_target.pdbqt | data/4H/4H5G-ARG/4H5G-ARG_decoys.pdbqt | data/4H/4H5G-ARG/4H5G-ARG_decoy_scores.csv |
4HA4-PG6 | data/4H/4HA4-PG6/4HA4-PG6_ligand.pdbqt | data/4H/4HA4-PG6/4HA4-PG6_target.pdbqt | data/4H/4HA4-PG6/4HA4-PG6_decoys.pdbqt | data/4H/4HA4-PG6/4HA4-PG6_decoy_scores.csv |
4HEV-AXM | data/4H/4HEV-AXM/4HEV-AXM_ligand.pdbqt | data/4H/4HEV-AXM/4HEV-AXM_target.pdbqt | data/4H/4HEV-AXM/4HEV-AXM_decoys.pdbqt | data/4H/4HEV-AXM/4HEV-AXM_decoy_scores.csv |
4HR2-ADP | data/4H/4HR2-ADP/4HR2-ADP_ligand.pdbqt | data/4H/4HR2-ADP/4HR2-ADP_target.pdbqt | data/4H/4HR2-ADP/4HR2-ADP_decoys.pdbqt | data/4H/4HR2-ADP/4HR2-ADP_decoy_scores.csv |
4H7Q-ADP | data/4H/4H7Q-ADP/4H7Q-ADP_ligand.pdbqt | data/4H/4H7Q-ADP/4H7Q-ADP_target.pdbqt | data/4H/4H7Q-ADP/4H7Q-ADP_decoys.pdbqt | data/4H/4H7Q-ADP/4H7Q-ADP_decoy_scores.csv |
4H2W-5GP | data/4H/4H2W-5GP/4H2W-5GP_ligand.pdbqt | data/4H/4H2W-5GP/4H2W-5GP_target.pdbqt | data/4H/4H2W-5GP/4H2W-5GP_decoys.pdbqt | data/4H/4H2W-5GP/4H2W-5GP_decoy_scores.csv |
4HY6-FJ1 | data/4H/4HY6-FJ1/4HY6-FJ1_ligand.pdbqt | data/4H/4HY6-FJ1/4HY6-FJ1_target.pdbqt | data/4H/4HY6-FJ1/4HY6-FJ1_decoys.pdbqt | data/4H/4HY6-FJ1/4HY6-FJ1_decoy_scores.csv |
4H2D-FMN | data/4H/4H2D-FMN/4H2D-FMN_ligand.pdbqt | data/4H/4H2D-FMN/4H2D-FMN_target.pdbqt | data/4H/4H2D-FMN/4H2D-FMN_decoys.pdbqt | data/4H/4H2D-FMN/4H2D-FMN_decoy_scores.csv |
4HMV-FMN | data/4H/4HMV-FMN/4HMV-FMN_ligand.pdbqt | data/4H/4HMV-FMN/4HMV-FMN_target.pdbqt | data/4H/4HMV-FMN/4HMV-FMN_decoys.pdbqt | data/4H/4HMV-FMN/4HMV-FMN_decoy_scores.csv |
4H4I-FMN | data/4H/4H4I-FMN/4H4I-FMN_ligand.pdbqt | data/4H/4H4I-FMN/4H4I-FMN_target.pdbqt | data/4H/4H4I-FMN/4H4I-FMN_decoys.pdbqt | data/4H/4H4I-FMN/4H4I-FMN_decoy_scores.csv |
4HLC-T05 | data/4H/4HLC-T05/4HLC-T05_ligand.pdbqt | data/4H/4HLC-T05/4HLC-T05_target.pdbqt | data/4H/4HLC-T05/4HLC-T05_decoys.pdbqt | data/4H/4HLC-T05/4HLC-T05_decoy_scores.csv |
4HDC-13Y | data/4H/4HDC-13Y/4HDC-13Y_ligand.pdbqt | data/4H/4HDC-13Y/4HDC-13Y_target.pdbqt | data/4H/4HDC-13Y/4HDC-13Y_decoys.pdbqt | data/4H/4HDC-13Y/4HDC-13Y_decoy_scores.csv |
4HUS-VIR | data/4H/4HUS-VIR/4HUS-VIR_ligand.pdbqt | data/4H/4HUS-VIR/4HUS-VIR_target.pdbqt | data/4H/4HUS-VIR/4HUS-VIR_decoys.pdbqt | data/4H/4HUS-VIR/4HUS-VIR_decoy_scores.csv |
4H03-ATP | data/4H/4H03-ATP/4H03-ATP_ligand.pdbqt | data/4H/4H03-ATP/4H03-ATP_target.pdbqt | data/4H/4H03-ATP/4H03-ATP_decoys.pdbqt | data/4H/4H03-ATP/4H03-ATP_decoy_scores.csv |
4HHS-BNG | data/4H/4HHS-BNG/4HHS-BNG_ligand.pdbqt | data/4H/4HHS-BNG/4HHS-BNG_target.pdbqt | data/4H/4HHS-BNG/4HHS-BNG_decoys.pdbqt | data/4H/4HHS-BNG/4HHS-BNG_decoy_scores.csv |
4HLG-20B | data/4H/4HLG-20B/4HLG-20B_ligand.pdbqt | data/4H/4HLG-20B/4HLG-20B_target.pdbqt | data/4H/4HLG-20B/4HLG-20B_decoys.pdbqt | data/4H/4HLG-20B/4HLG-20B_decoy_scores.csv |
4HMU-WUB | data/4H/4HMU-WUB/4HMU-WUB_ligand.pdbqt | data/4H/4HMU-WUB/4HMU-WUB_target.pdbqt | data/4H/4HMU-WUB/4HMU-WUB_decoys.pdbqt | data/4H/4HMU-WUB/4HMU-WUB_decoy_scores.csv |
4HE9-G52 | data/4H/4HE9-G52/4HE9-G52_ligand.pdbqt | data/4H/4HE9-G52/4HE9-G52_target.pdbqt | data/4H/4HE9-G52/4HE9-G52_decoys.pdbqt | data/4H/4HE9-G52/4HE9-G52_decoy_scores.csv |
4HLA-017 | data/4H/4HLA-017/4HLA-017_ligand.pdbqt | data/4H/4HLA-017/4HLA-017_target.pdbqt | data/4H/4HLA-017/4HLA-017_decoys.pdbqt | data/4H/4HLA-017/4HLA-017_decoy_scores.csv |
4HEG-G52 | data/4H/4HEG-G52/4HEG-G52_ligand.pdbqt | data/4H/4HEG-G52/4HEG-G52_target.pdbqt | data/4H/4HEG-G52/4HEG-G52_decoys.pdbqt | data/4H/4HEG-G52/4HEG-G52_decoy_scores.csv |
4H5T-ADP | data/4H/4H5T-ADP/4H5T-ADP_ligand.pdbqt | data/4H/4H5T-ADP/4H5T-ADP_target.pdbqt | data/4H/4H5T-ADP/4H5T-ADP_decoys.pdbqt | data/4H/4H5T-ADP/4H5T-ADP_decoy_scores.csv |
4HWK-SFY | data/4H/4HWK-SFY/4HWK-SFY_ligand.pdbqt | data/4H/4HWK-SFY/4HWK-SFY_target.pdbqt | data/4H/4HWK-SFY/4HWK-SFY_decoys.pdbqt | data/4H/4HWK-SFY/4HWK-SFY_decoy_scores.csv |
4HAW-LMB | data/4H/4HAW-LMB/4HAW-LMB_ligand.pdbqt | data/4H/4HAW-LMB/4HAW-LMB_target.pdbqt | data/4H/4HAW-LMB/4HAW-LMB_decoys.pdbqt | data/4H/4HAW-LMB/4HAW-LMB_decoy_scores.csv |
4H3A-0YY | data/4H/4H3A-0YY/4H3A-0YY_ligand.pdbqt | data/4H/4H3A-0YY/4H3A-0YY_target.pdbqt | data/4H/4H3A-0YY/4H3A-0YY_decoys.pdbqt | data/4H/4H3A-0YY/4H3A-0YY_decoy_scores.csv |
4HBF-DXC | data/4H/4HBF-DXC/4HBF-DXC_ligand.pdbqt | data/4H/4HBF-DXC/4HBF-DXC_target.pdbqt | data/4H/4HBF-DXC/4HBF-DXC_decoys.pdbqt | data/4H/4HBF-DXC/4HBF-DXC_decoy_scores.csv |
4H0X-NAD | data/4H/4H0X-NAD/4H0X-NAD_ligand.pdbqt | data/4H/4H0X-NAD/4H0X-NAD_target.pdbqt | data/4H/4H0X-NAD/4H0X-NAD_decoys.pdbqt | data/4H/4H0X-NAD/4H0X-NAD_decoy_scores.csv |
4HSL-3HA | data/4H/4HSL-3HA/4HSL-3HA_ligand.pdbqt | data/4H/4HSL-3HA/4HSL-3HA_target.pdbqt | data/4H/4HSL-3HA/4HSL-3HA_decoys.pdbqt | data/4H/4HSL-3HA/4HSL-3HA_decoy_scores.csv |
4HWR-1B2 | data/4H/4HWR-1B2/4HWR-1B2_ligand.pdbqt | data/4H/4HWR-1B2/4HWR-1B2_target.pdbqt | data/4H/4HWR-1B2/4HWR-1B2_decoys.pdbqt | data/4H/4HWR-1B2/4HWR-1B2_decoy_scores.csv |
4HN4-F9F | data/4H/4HN4-F9F/4HN4-F9F_ligand.pdbqt | data/4H/4HN4-F9F/4HN4-F9F_target.pdbqt | null | null |
4HHJ-P6G | data/4H/4HHJ-P6G/4HHJ-P6G_ligand.pdbqt | data/4H/4HHJ-P6G/4HHJ-P6G_target.pdbqt | data/4H/4HHJ-P6G/4HHJ-P6G_decoys.pdbqt | data/4H/4HHJ-P6G/4HHJ-P6G_decoy_scores.csv |
4H2F-ADN | data/4H/4H2F-ADN/4H2F-ADN_ligand.pdbqt | data/4H/4H2F-ADN/4H2F-ADN_target.pdbqt | data/4H/4H2F-ADN/4H2F-ADN_decoys.pdbqt | data/4H/4H2F-ADN/4H2F-ADN_decoy_scores.csv |
4H12-SAH | data/4H/4H12-SAH/4H12-SAH_ligand.pdbqt | data/4H/4H12-SAH/4H12-SAH_target.pdbqt | data/4H/4H12-SAH/4H12-SAH_decoys.pdbqt | data/4H/4H12-SAH/4H12-SAH_decoy_scores.csv |
4H2U-PNS | data/4H/4H2U-PNS/4H2U-PNS_ligand.pdbqt | data/4H/4H2U-PNS/4H2U-PNS_target.pdbqt | data/4H/4H2U-PNS/4H2U-PNS_decoys.pdbqt | data/4H/4H2U-PNS/4H2U-PNS_decoy_scores.csv |
4HL2-ZZ7 | data/4H/4HL2-ZZ7/4HL2-ZZ7_ligand.pdbqt | data/4H/4HL2-ZZ7/4HL2-ZZ7_target.pdbqt | data/4H/4HL2-ZZ7/4HL2-ZZ7_decoys.pdbqt | data/4H/4HL2-ZZ7/4HL2-ZZ7_decoy_scores.csv |
4HYX-RET | data/4H/4HYX-RET/4HYX-RET_ligand.pdbqt | data/4H/4HYX-RET/4HYX-RET_target.pdbqt | data/4H/4HYX-RET/4HYX-RET_decoys.pdbqt | data/4H/4HYX-RET/4HYX-RET_decoy_scores.csv |
4HLW-TES | data/4H/4HLW-TES/4HLW-TES_ligand.pdbqt | data/4H/4HLW-TES/4HLW-TES_target.pdbqt | data/4H/4HLW-TES/4HLW-TES_decoys.pdbqt | data/4H/4HLW-TES/4HLW-TES_decoy_scores.csv |
4HMS-FMN | data/4H/4HMS-FMN/4HMS-FMN_ligand.pdbqt | data/4H/4HMS-FMN/4HMS-FMN_target.pdbqt | data/4H/4HMS-FMN/4HMS-FMN_decoys.pdbqt | data/4H/4HMS-FMN/4HMS-FMN_decoy_scores.csv |
4HHO-LMT | data/4H/4HHO-LMT/4HHO-LMT_ligand.pdbqt | data/4H/4HHO-LMT/4HHO-LMT_target.pdbqt | data/4H/4HHO-LMT/4HHO-LMT_decoys.pdbqt | data/4H/4HHO-LMT/4HHO-LMT_decoy_scores.csv |
4HYW-FDP | data/4H/4HYW-FDP/4HYW-FDP_ligand.pdbqt | data/4H/4HYW-FDP/4HYW-FDP_target.pdbqt | data/4H/4HYW-FDP/4HYW-FDP_decoys.pdbqt | data/4H/4HYW-FDP/4HYW-FDP_decoy_scores.csv |
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